SCHEMBL7501062

SCHEMBL7501062

CCOc1ccc2c(C3=C(c4cn(C)c5cccc(Br)c45)C(=O)NC3=O)cn(C)c2c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.50
CCNE2 O96020 1/20 0.49
CDK4 P11802 1/20 0.49
CCND1 P24385 1/20 0.49
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
PRKCA P17252 5/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7498294 0.88 GSK3B (0.52) GSK3BCCNE2CDK4CCND1CCNE1
SCHEMBL7508084 0.79 GSK3B (0.59) GSK3BPRKCA
SCHEMBL7506750 0.78 CCNE2 (0.45) GSK3BCCNE2CDK4CCND1CCNE1
SCHEMBL7502427 0.77 GSK3B (0.75) GSK3BCCNE2CDK4CCND1CCNE1
SCHEMBL7507263 0.76 GSK3B (0.65) GSK3BCCNE2CDK4CCND1CCNE1
SCHEMBL7499657 0.74 GSK3B (0.70) GSK3BCCNE2CDK4CCND1CCNE1
SCHEMBL8155150 0.74 PRKCA (0.80) GSK3BCCNE2CDK4CCND1CCNE1
SCHEMBL30834696 0.72 CCNE2 (0.58) GSK3BCCNE2CDK4CCND1CCNE1
SCHEMBL7529336 0.71 CCNE2 (0.77) GSK3BCCNE2CDK4CCND1CCNE1
SCHEMBL8440476 0.69 CCNE2 (0.72) GSK3BCCNE2CDK4CCND1CCNE1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915870-B1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION HOFFMANN LA ROCHE (CH) 2002-09-25 EP disclosed
US-6228877-B1 ANTICARCINOGENIC, ANTITUMOR AND ANTIPROLIFERATIVE AGENTS HOFFMANN-LA ROCHE INC. 2001-05-08 US disclosed